CID 6481817

N-[(2,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline

Structural Information

Molecular Formula
C17H15Cl2N3
SMILES
C1=CC(=CC(=C1)NCC2=C(C=C(C=C2)Cl)Cl)CN3C=CN=C3
InChI
InChI=1S/C17H15Cl2N3/c18-15-5-4-14(17(19)9-15)10-21-16-3-1-2-13(8-16)11-22-7-6-20-12-22/h1-9,12,21H,10-11H2
InChIKey
NYEAYTYOXWPGLO-UHFFFAOYSA-N
Compound name
N-[(2,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.0643 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07158 175.9
[M+Na]+ 354.05352 185.4
[M-H]- 330.05702 182.0
[M+NH4]+ 349.09812 189.7
[M+K]+ 370.02746 176.9
[M+H-H2O]+ 314.06156 166.2
[M+HCOO]- 376.06250 189.6
[M+CH3COO]- 390.07815 186.5
[M+Na-2H]- 352.03897 178.7
[M]+ 331.06375 179.0
[M]- 331.06485 179.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.